SCHEMBL1797296

SCHEMBL1797296

COc1ccccc1C(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK14 Q16539 2/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 1/20 0.40
PKM P14618 1/20 0.40
RIPK1 Q13546 1/20 0.40
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5151456 0.89 CYP2C9 (0.44) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
SCHEMBL1803133 0.86 CYP2C9 (0.41) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
SCHEMBL3923623 0.85 ATM (0.44) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
SCHEMBL1799713 0.83 RIPK1 (0.46) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
SCHEMBL1800386 0.82 NPC1 (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL3918988 0.82 ATM (0.43) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
SCHEMBL1799685 0.82 MEN1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL1802100 0.82 TACR1 (0.38) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
SCHEMBL1800228 0.82 CYP2C9 (0.46) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1802301 0.81 CYP2C9 (0.45) CYP2C9CYP2C19MAPK14ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CYP2C9 429/4885CYP2C19 295/4885MAPK14 3136/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.